CID 3076153

130365-37-6

Structural Information

Molecular Formula
C8H9N2O4PS
SMILES
CNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H9N2O4PS/c1-9-15(16)13-5-6-4-7(10(11)12)2-3-8(6)14-15/h2-4H,5H2,1H3,(H,9,16)
InChIKey
RFCZOEAGRJVOQW-UHFFFAOYSA-N
Compound name
N-methyl-6-nitro-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.00208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00936 146.6
[M+Na]+ 282.99130 158.2
[M+NH4]+ 278.03590 155.9
[M+K]+ 298.96524 152.8
[M-H]- 258.99480 152.5
[M+Na-2H]- 280.97675 151.9
[M]+ 260.00153 150.3
[M]- 260.00263 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.